SCHEMBL6579376

SCHEMBL6579376

CCCCCCCCOCC(=O)N(C/C=C(\C)CCC=C(C)C)c1cc(N)ccc1C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LSS P48449 1/20 0.34
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6579381 1.00 ALDH1A1 (0.35) ALDH1A1NPC1MAPTRAB9ATRPV1
SCHEMBL6576816 0.90 TRPV1 (0.38) ALDH1A1NPC1MAPTRAB9ATRPV1
SCHEMBL6576810 0.90 TRPV1 (0.38) ALDH1A1NPC1MAPTRAB9ATRPV1
SCHEMBL6579384 0.84 TRPV1 (0.39) ALDH1A1TRPV1
SCHEMBL6579387 0.84 TRPV1 (0.39) ALDH1A1TRPV1
SCHEMBL6579010 0.84 MAOA (0.33) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL6579894 0.84 ALDH1A1 (0.40) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL6582084 0.84 MEN1 (0.39) ALDH1A1NPC1MAPTRAB9APOLB
SCHEMBL6582092 0.84 MEN1 (0.39) ALDH1A1NPC1MAPTRAB9APOLB
SCHEMBL6578885 0.83 MAOB (0.38) ALDH1A1MAPTTRPV1KDM4EHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed